Geometry & MOs

Info

ID:	166725
PubChem CID:	74724996
Reduced:	NO3C23H28 (1)
Stoich.:	AB3C23D28 (1)
Weight, g/mol:	464.218546
ΔH_f, kcal/mol:	-61.96
Dipole, Da:	14.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.885425
Charge, e:	-1

Chem-info

IUPAC name:

[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-propoxyphenyl)methanolate

Drug info:

PubChemData

Smile

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3C)C2=O)O

DOS

IR

Vibrations